SCHEMBL8091377

SCHEMBL8091377

CC1=C(C(=O)OCCc2ccccn2)C(c2cccc(F)c2F)C(C(=O)OCC2CCCC2)=C(C)N1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 3/20 0.44
KDM4E B2RXH2 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE1C Q14123 2/20 0.39
ALOX15 P16050 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8099097 0.99 SMN1; SMN2 (0.52) SMN1; SMN2TP53KDM4ECASP1HSD17B10
SCHEMBL8100065 0.90 TP53 (0.51) SMN1; SMN2TP53KDM4ECASP1HSD17B10
SCHEMBL8097229 0.88 KDM4E (0.50) SMN1; SMN2TP53KDM4ECASP1HSD17B10
SCHEMBL6953510 0.86 SMN1; SMN2 (0.56) SMN1; SMN2TP53KDM4EHSD17B10MEN1
SCHEMBL6948567 0.86 SMN1; SMN2 (0.57) SMN1; SMN2TP53MEN1KMT2APDE1C
SCHEMBL8084731 0.85 CACNA1C (0.46) KDM4ECASP1HSD17B10MEN1KMT2A
SCHEMBL8091021 0.78 SMN1; SMN2 (0.52) SMN1; SMN2TP53MEN1KMT2APDE1C
SCHEMBL6945832 0.77 SMN1; SMN2 (0.54) SMN1; SMN2TP53MEN1KMT2APDE1C
SCHEMBL3032439 0.73 MTOR (0.59) SMN1; SMN2TP53KDM4ECASP1HSD17B10
SCHEMBL27439079 0.73 CACNA1C (0.45) KDM4ECASP1HSD17B10MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066655-A FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, IN PARTICULAR AS CEREBRAL THERAPEUTICS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-5731333-A LEARNING AND MEMORY ENHANCEMENT, ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed